4-(2-azanylethylsulfanylmethyl)-3-nitro-benzamide

Systemtic Name: 4-(2-azanylethylsulfanylmethyl)-3-nitro-benzamide Openeye Name: 4-(2-aminoethylsulfanylmethyl)-3-nitro-benzamide CAS Name: 4-[(2-aminoethylthio)methyl]-3-nitrobenzamide IUPAC Name: 4-(2-aminoethylsulfanylmethyl)-3-nitrobenzamide Traditional Name: 4-[(2-aminoethylthio)methyl]-3-nitro-benzamide Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSCCN

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSCCN

InChI

InChI=1S/C10H13N3O3S/c11-3-4-17-6-8-2-1-7(10(12)14)5-9(8)13(15)16/h1-2,5H,3-4,6,11H2,(H2,12,14)